SMILES:
O=C1C2CC(C(=O)N1CCCCN1CCN(c3cncc(Cl)n3)CC1)C1CC=CC21Molecular Processing
Molecular formula
C22H28ClN5O2
Molecular weight
429.95
Exact mass
429.1932
XLogP
2.23
TPSA
69.64
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
113.98
Supplementary Information
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